Metabolomics Structure Database
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MW REGNO: | 3026 |
Common Name: | 7-Acetoxy-7,8-dihydrobromovulone II |
Systematic Name: | methyl 7S-acetoxy-9-oxo-10-bromo-12S-hydroxy-5E,10Z,13Z-prostatrienoate-cyclo[8R,12] |
RefMet Name: | 7-Acetoxy-7,8-dihydrobromovulone II |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C23H33BrO6 |
InChIKey: | KJIAAYSMTGAUFU-NRPCDHBGSA-N |
LIPID MAPS Category: | Fatty Acyls [FA] |
LIPID MAPS mainclass: | Eicosanoids [FA03] |
LIPID MAPS subclass: | Clavulones and derivatives |
SMILES: | CCCCC/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H](/C=C/CCCC(=O)OC)OC(=O)C)Br)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 11827002 |
LIPID MAPS ID: | LMFA03120058 |
Marine Natural Products DB: | CMNPD12196 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y